2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one

C10H17N3O — CID 13170751

IUPAC2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC2=C(C1)C(=O)NC(C)(C)N2
InChIInChI=1S/C10H17N3O/c1-10(2)11-8-4-5-13(3)6-7(8)9(14)12-10/h11H,4-6H2,1-3H3,(H,12,14)
InChIKeyOEZNIMGSJMODOE-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.03
Rot. Bonds

About 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one

2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 13170751) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID13170751
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCC2=C(C1)C(=O)NC(C)(C)N2
InChIInChI=1S/C10H17N3O/c1-10(2)11-8-4-5-13(3)6-7(8)9(14)12-10/h11H,4-6H2,1-3H3,(H,12,14)
InChIKeyOEZNIMGSJMODOE-UHFFFAOYSA-N
XLogP0.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one (CID 13170751) is 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one is CN1CCC2=C(C1)C(=O)NC(C)(C)N2.
What is the InChIKey of 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OEZNIMGSJMODOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2)11-8-4-5-13(3)6-7(8)9(14)12-10/h11H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one?
2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3,5,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 13170751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).